4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

C17H16N6O — CID 131743274

IUPAC4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
SMILESCOc1ccc(CN(c2ncnn3c(C#N)cnc23)C2CC2)cc1
InChIInChI=1S/C17H16N6O/c1-24-15-6-2-12(3-7-15)10-22(13-4-5-13)16-17-19-9-14(8-18)23(17)21-11-20-16/h2-3,6-7,9,11,13H,4-5,10H2,1H3
InChIKeyBKHSLVBGPJFCHA-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.17
Rot. Bonds5

About 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile (PubChem CID 131743274) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
PubChem CID131743274
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
SMILESCOc1ccc(CN(c2ncnn3c(C#N)cnc23)C2CC2)cc1
InChIInChI=1S/C17H16N6O/c1-24-15-6-2-12(3-7-15)10-22(13-4-5-13)16-17-19-9-14(8-18)23(17)21-11-20-16/h2-3,6-7,9,11,13H,4-5,10H2,1H3
InChIKeyBKHSLVBGPJFCHA-UHFFFAOYSA-N
XLogP2.17
TPSA79.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile?
The IUPAC name of 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile (CID 131743274) is 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile.
What is the SMILES notation for 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile?
The canonical SMILES for 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile is COc1ccc(CN(c2ncnn3c(C#N)cnc23)C2CC2)cc1.
What is the InChIKey of 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile?
The InChIKey is BKHSLVBGPJFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-24-15-6-2-12(3-7-15)10-22(13-4-5-13)16-17-19-9-14(8-18)23(17)21-11-20-16/h2-3,6-7,9,11,13H,4-5,10H2,1H3.
What are the key properties of 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile?
4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile is sourced from PubChem (CID 131743274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).